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ChEMBL Statistics
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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL14060
DrugBank DB03255
PDBe IPH
KEGG Ligand C00146 C15584
ChEBI 15882 50526
ZINC ZINC000005133329
eMolecules 475725 29536684 30555809 524604
IBM Patent System 06921F7765E5684337802922CEA73299 1EB8996CA7ACC18728B22FC1F42657E8 780B20B507BBBD8A47F06C7B8948B6B3 5E525CD29C899DFDD0650BE7D4BB1C76 7227CBE8DB21042686D2E670C17E651F B6691ABC51A9864994801B5AC93546FF 212350CC07BEB00D9340C1E2B0573470 582D0018BE356E6C6ECA3D278765E404 E25A31E2110BDA0E63DD990186C30F1E EB7449435A0BB6E1A81D6F9C5BCA89FA
Atlas phenol
FDA SRS 339NCG44TV
SureChEMBL SCHEMBL48 SCHEMBL1063688 SCHEMBL1741191 SCHEMBL10596812 SCHEMBL14134295 SCHEMBL250846 SCHEMBL3549647 SCHEMBL7170931 SCHEMBL7169798 SCHEMBL17307526 SCHEMBL18842871 SCHEMBL14004356 SCHEMBL1332575 SCHEMBL1332386 SCHEMBL13384840 SCHEMBL1331249 SCHEMBL15504723 SCHEMBL2777479
PharmGKB PA450913
Human Metabolome Database HMDB0000228
PubChem: Thomson Pharma 15170419 16459531 16324495 16165792
PubChem 996 20488062 12205407 129719597 102491680 12205409 12205411 88635940 11240442 12205417 12205412 101252639 11366956 12205420 12205408 450724 11094559 16213343 12205413 57224171 123295 12205416 102071048 76972960 12203467 101252640 53933671 12205414 12205419 16217430 5152889 19933415 119047
Mcule MCULE-9943948107
NMRShiftDB 20036223 20176248
ACToR 27073-41-2 63496-48-0 73607-76-8 61788-41-8 108-95-2 1336-35-2 13127-88-3 3229-70-7
MolPort MolPort-000-871-946 MolPort-003-927-171
Nikkaji J2.873H J867.766B J504.300J J870.446E J3.152.443A J429.858F J1.919.943F J2.340.076F J2.340.078B J1.919.944D J1.245.303E J504.301H J317.823D J672.400K J504.302F J2.070.770D J1.012.655J J261.027B J1.245.302G J1.233.812K J312.417G
BindingDB 26187
EPA CompTox Dashboard DTXSID5021124 DTXSID90480397 DTXSID50480398 DTXSID50454877 DTXSID60583884 DTXSID30584388
DrugCentral 4266
Metabolights MTBLC15882 MTBLC50526
Brenda 107024 109195 249 107025 109048
Rhea 15882
ChemicalBook CB4362168

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/ISWSIDIOOBJBQZ-UHFFFAOYSA-N/0/0/4
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